(Q105185422)

English

(1S,4S,8R,9R,12S,13S,14S,16S)-9-ethoxy-14-hydroxy-7,7-dimethyl-17-methylidene-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,18-dione

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

9-Ethoxy-14-hydroxy-7,7-dimethyl-17-methylidene-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,18-dione

1 reference

based on heuristic

inferred from SMILES

mass

390.20423868 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₀O₆

0 references

canonical SMILES

O=C1OC2CCC(C)(C)C3C(OCC)OCC23C4C(O)CC5C(=C)C(=O)C14C5

0 references

isomeric SMILES

C=C1C(=O)[C@]23C[C@H]1C[C@H](O)[C@H]2[C@@]12CO[C@@H](OCC)[C@@H]1C(C)(C)CC[C@@H]2OC3=O

0 references

found in taxon

Isodon japonicus

1 reference

stated in

Studies on constituents of Isodon japonicus hara

Identifiers

InChI

InChI=1S/C22H30O6/c1-5-26-18-16-20(3,4)7-6-14-22(16,10-27-18)15-13(23)8-12-9-21(15,19(25)28-14)17(24)11(12)2/h12-16,18,23H,2,5-10H2,1,3-4H3/t12-,13+,14+,15-,16-,18-,21+,22+/m1/s1

0 references

InChIKey

NTFNONFOLQQJBP-OKMZJMROSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NTFNONFOLQQJBP-OKMZJMROSA-N

(Q105185422)

(1S,4S,8R,9R,12S,13S,14S,16S)-9-ethoxy-14-hydroxy-7,7-dimethyl-17-methylidene-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,18-dione

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Identifiers

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